################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30329 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 30329 1 2 '2D 1H-1H NOESY' . . . 30329 1 3 '2D 1H-1H TOCSY' . . . 30329 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 DCZ H1' H 1 5.96077 0.01 . . . . . . A 1 DCZ H1' . 30329 1 2 . 1 . 1 1 1 DCZ H2'1 H 1 2.20906 0.01 . . . . . . A 1 DCZ H2'1 . 30329 1 3 . 1 . 1 1 1 DCZ H2'2 H 1 2.61505 0.01 . . . . . . A 1 DCZ H2'2 . 30329 1 4 . 1 . 1 1 1 DCZ H3' H 1 4.90751 0.01 . . . . . . A 1 DCZ H3' . 30329 1 5 . 1 . 1 1 1 DCZ H5 H 1 6.12016 0.01 . . . . . . A 1 DCZ H5 . 30329 1 6 . 1 . 1 1 1 DCZ H6 H 1 7.85409 0.01 . . . . . . A 1 DCZ H6 . 30329 1 7 . 1 . 1 2 2 DG H1' H 1 6.19922 0.01 . . . . . . A 2 DG H1' . 30329 1 8 . 1 . 1 2 2 DG H2' H 1 2.8416 0.01 . . . . . . A 2 DG H2' . 30329 1 9 . 1 . 1 2 2 DG H2'' H 1 3.01822 0.01 . . . . . . A 2 DG H2'' . 30329 1 10 . 1 . 1 2 2 DG H3' H 1 5.1817 0.01 . . . . . . A 2 DG H3' . 30329 1 11 . 1 . 1 2 2 DG H4' H 1 4.55917 0.01 . . . . . . A 2 DG H4' . 30329 1 12 . 1 . 1 2 2 DG H8 H 1 8.17844 0.01 . . . . . . A 2 DG H8 . 30329 1 13 . 1 . 1 3 3 5CM H1' H 1 6.10758 0.01 . . . . . . A 3 5CM H1' . 30329 1 14 . 1 . 1 3 3 5CM H2' H 1 2.00076 0.01 . . . . . . A 3 5CM H2' . 30329 1 15 . 1 . 1 3 3 5CM H2'' H 1 2.67769 0.01 . . . . . . A 3 5CM H2'' . 30329 1 16 . 1 . 1 3 3 5CM H3' H 1 5.01157 0.01 . . . . . . A 3 5CM H3' . 30329 1 17 . 1 . 1 3 3 5CM H5A1 H 1 1.73599 0.01 . . . . . . A 3 5CM H5A1 . 30329 1 18 . 1 . 1 3 3 5CM H5A2 H 1 1.73599 0.01 . . . . . . A 3 5CM H5A2 . 30329 1 19 . 1 . 1 3 3 5CM H5A3 H 1 1.73599 0.01 . . . . . . A 3 5CM H5A3 . 30329 1 20 . 1 . 1 3 3 5CM H6 H 1 7.34675 0.01 . . . . . . A 3 5CM H6 . 30329 1 21 . 1 . 1 4 4 8OG H1' H 1 5.33307 0.01 . . . . . . A 4 8OG H1' . 30329 1 22 . 1 . 1 4 4 8OG H2' H 1 3.5882 0.01 . . . . . . A 4 8OG H2' . 30329 1 23 . 1 . 1 4 4 8OG H2'' H 1 2.60328 0.01 . . . . . . A 4 8OG H2'' . 30329 1 24 . 1 . 1 5 5 DA H1' H 1 6.22799 0.01 . . . . . . A 5 DA H1' . 30329 1 25 . 1 . 1 5 5 DA H2 H 1 7.41975 0.01 . . . . . . A 5 DA H2 . 30329 1 26 . 1 . 1 5 5 DA H2' H 1 2.91206 0.01 . . . . . . A 5 DA H2' . 30329 1 27 . 1 . 1 5 5 DA H2'' H 1 3.15016 0.01 . . . . . . A 5 DA H2'' . 30329 1 28 . 1 . 1 5 5 DA H3' H 1 5.26954 0.01 . . . . . . A 5 DA H3' . 30329 1 29 . 1 . 1 5 5 DA H4' H 1 4.64889 0.01 . . . . . . A 5 DA H4' . 30329 1 30 . 1 . 1 5 5 DA H8 H 1 8.39964 0.01 . . . . . . A 5 DA H8 . 30329 1 31 . 1 . 1 6 6 DA H1' H 1 6.3543 0.01 . . . . . . A 6 DA H1' . 30329 1 32 . 1 . 1 6 6 DA H2 H 1 7.82708 0.01 . . . . . . A 6 DA H2 . 30329 1 33 . 1 . 1 6 6 DA H2' H 1 2.77074 0.01 . . . . . . A 6 DA H2' . 30329 1 34 . 1 . 1 6 6 DA H2'' H 1 3.13377 0.01 . . . . . . A 6 DA H2'' . 30329 1 35 . 1 . 1 6 6 DA H3' H 1 5.20989 0.01 . . . . . . A 6 DA H3' . 30329 1 36 . 1 . 1 6 6 DA H4' H 1 4.66023 0.01 . . . . . . A 6 DA H4' . 30329 1 37 . 1 . 1 6 6 DA H8 H 1 8.33132 0.01 . . . . . . A 6 DA H8 . 30329 1 38 . 1 . 1 7 7 DT H1' H 1 6.10623 0.01 . . . . . . A 7 DT H1' . 30329 1 39 . 1 . 1 7 7 DT H2' H 1 2.18522 0.01 . . . . . . A 7 DT H2' . 30329 1 40 . 1 . 1 7 7 DT H2'' H 1 2.7756 0.01 . . . . . . A 7 DT H2'' . 30329 1 41 . 1 . 1 7 7 DT H3' H 1 5.01712 0.01 . . . . . . A 7 DT H3' . 30329 1 42 . 1 . 1 7 7 DT H6 H 1 7.32094 0.01 . . . . . . A 7 DT H6 . 30329 1 43 . 1 . 1 7 7 DT H71 H 1 1.47206 0.01 . . . . . . A 7 DT H71 . 30329 1 44 . 1 . 1 7 7 DT H72 H 1 1.47206 0.01 . . . . . . A 7 DT H72 . 30329 1 45 . 1 . 1 7 7 DT H73 H 1 1.47206 0.01 . . . . . . A 7 DT H73 . 30329 1 46 . 1 . 1 8 8 DT H1' H 1 6.31386 0.01 . . . . . . A 8 DT H1' . 30329 1 47 . 1 . 1 8 8 DT H2' H 1 2.38298 0.01 . . . . . . A 8 DT H2' . 30329 1 48 . 1 . 1 8 8 DT H2'' H 1 2.77096 0.01 . . . . . . A 8 DT H2'' . 30329 1 49 . 1 . 1 8 8 DT H3' H 1 5.10441 0.01 . . . . . . A 8 DT H3' . 30329 1 50 . 1 . 1 8 8 DT H6 H 1 7.57917 0.01 . . . . . . A 8 DT H6 . 30329 1 51 . 1 . 1 8 8 DT H71 H 1 1.71617 0.01 . . . . . . A 8 DT H71 . 30329 1 52 . 1 . 1 8 8 DT H72 H 1 1.71617 0.01 . . . . . . A 8 DT H72 . 30329 1 53 . 1 . 1 8 8 DT H73 H 1 1.71617 0.01 . . . . . . A 8 DT H73 . 30329 1 54 . 1 . 1 9 9 DC H1' H 1 5.88576 0.01 . . . . . . A 9 DC H1' . 30329 1 55 . 1 . 1 9 9 DC H2' H 1 2.22869 0.01 . . . . . . A 9 DC H2' . 30329 1 56 . 1 . 1 9 9 DC H2'' H 1 2.59814 0.01 . . . . . . A 9 DC H2'' . 30329 1 57 . 1 . 1 9 9 DC H3' H 1 5.07418 0.01 . . . . . . A 9 DC H3' . 30329 1 58 . 1 . 1 9 9 DC H5 H 1 5.84824 0.01 . . . . . . A 9 DC H5 . 30329 1 59 . 1 . 1 9 9 DC H6 H 1 7.66782 0.01 . . . . . . A 9 DC H6 . 30329 1 60 . 1 . 1 10 10 DG H1' H 1 6.0589 0.01 . . . . . . A 10 DG H1' . 30329 1 61 . 1 . 1 10 10 DG H3' H 1 5.18765 0.01 . . . . . . A 10 DG H3' . 30329 1 62 . 1 . 1 10 10 DG H4' H 1 4.57502 0.01 . . . . . . A 10 DG H4' . 30329 1 63 . 1 . 1 10 10 DG H8 H 1 8.11572 0.01 . . . . . . A 10 DG H8 . 30329 1 64 . 1 . 1 11 11 DC H1' H 1 5.97603 0.01 . . . . . . A 11 DC H1' . 30329 1 65 . 1 . 1 11 11 DC H2' H 1 2.08113 0.01 . . . . . . A 11 DC H2' . 30329 1 66 . 1 . 1 11 11 DC H2'' H 1 2.53554 0.01 . . . . . . A 11 DC H2'' . 30329 1 67 . 1 . 1 11 11 DC H3' H 1 5.00586 0.01 . . . . . . A 11 DC H3' . 30329 1 68 . 1 . 1 11 11 DC H5 H 1 5.60469 0.01 . . . . . . A 11 DC H5 . 30329 1 69 . 1 . 1 11 11 DC H6 H 1 7.50952 0.01 . . . . . . A 11 DC H6 . 30329 1 70 . 1 . 1 12 12 DG H1' H 1 6.35657 0.01 . . . . . . A 12 DG H1' . 30329 1 71 . 1 . 1 12 12 DG H2' H 1 2.56472 0.01 . . . . . . A 12 DG H2' . 30329 1 72 . 1 . 1 12 12 DG H2'' H 1 2.81228 0.01 . . . . . . A 12 DG H2'' . 30329 1 73 . 1 . 1 12 12 DG H3' H 1 4.87292 0.01 . . . . . . A 12 DG H3' . 30329 1 74 . 1 . 1 12 12 DG H8 H 1 8.14176 0.01 . . . . . . A 12 DG H8 . 30329 1 75 . 2 . 1 1 1 DCZ H1' H 1 5.96077 0.01 . . . . . . B 13 DCZ H1' . 30329 1 76 . 2 . 1 1 1 DCZ H2'1 H 1 2.20906 0.01 . . . . . . B 13 DCZ H2'1 . 30329 1 77 . 2 . 1 1 1 DCZ H2'2 H 1 2.61505 0.01 . . . . . . B 13 DCZ H2'2 . 30329 1 78 . 2 . 1 1 1 DCZ H3' H 1 4.90751 0.01 . . . . . . B 13 DCZ H3' . 30329 1 79 . 2 . 1 1 1 DCZ H5 H 1 6.12016 0.01 . . . . . . B 13 DCZ H5 . 30329 1 80 . 2 . 1 1 1 DCZ H6 H 1 7.85409 0.01 . . . . . . B 13 DCZ H6 . 30329 1 81 . 2 . 1 2 2 DG H1' H 1 6.19922 0.01 . . . . . . B 14 DG H1' . 30329 1 82 . 2 . 1 2 2 DG H2' H 1 2.8416 0.01 . . . . . . B 14 DG H2' . 30329 1 83 . 2 . 1 2 2 DG H2'' H 1 3.01822 0.01 . . . . . . B 14 DG H2'' . 30329 1 84 . 2 . 1 2 2 DG H3' H 1 5.1817 0.01 . . . . . . B 14 DG H3' . 30329 1 85 . 2 . 1 2 2 DG H4' H 1 4.55917 0.01 . . . . . . B 14 DG H4' . 30329 1 86 . 2 . 1 2 2 DG H8 H 1 8.17844 0.01 . . . . . . B 14 DG H8 . 30329 1 87 . 2 . 1 3 3 5CM H1' H 1 6.10758 0.01 . . . . . . B 15 5CM H1' . 30329 1 88 . 2 . 1 3 3 5CM H2' H 1 2.00076 0.01 . . . . . . B 15 5CM H2' . 30329 1 89 . 2 . 1 3 3 5CM H2'' H 1 2.67769 0.01 . . . . . . B 15 5CM H2'' . 30329 1 90 . 2 . 1 3 3 5CM H3' H 1 5.01157 0.01 . . . . . . B 15 5CM H3' . 30329 1 91 . 2 . 1 3 3 5CM H5A1 H 1 1.73599 0.01 . . . . . . B 15 5CM H5A1 . 30329 1 92 . 2 . 1 3 3 5CM H5A2 H 1 1.73599 0.01 . . . . . . B 15 5CM H5A2 . 30329 1 93 . 2 . 1 3 3 5CM H5A3 H 1 1.73599 0.01 . . . . . . B 15 5CM H5A3 . 30329 1 94 . 2 . 1 3 3 5CM H6 H 1 7.34675 0.01 . . . . . . B 15 5CM H6 . 30329 1 95 . 2 . 1 4 4 8OG H1' H 1 5.33307 0.01 . . . . . . B 16 8OG H1' . 30329 1 96 . 2 . 1 4 4 8OG H2' H 1 3.5882 0.01 . . . . . . B 16 8OG H2' . 30329 1 97 . 2 . 1 4 4 8OG H2'' H 1 2.60328 0.01 . . . . . . B 16 8OG H2'' . 30329 1 98 . 2 . 1 5 5 DA H1' H 1 6.22799 0.01 . . . . . . B 17 DA H1' . 30329 1 99 . 2 . 1 5 5 DA H2 H 1 7.41975 0.01 . . . . . . B 17 DA H2 . 30329 1 100 . 2 . 1 5 5 DA H2' H 1 2.91206 0.01 . . . . . . B 17 DA H2' . 30329 1 101 . 2 . 1 5 5 DA H2'' H 1 3.15016 0.01 . . . . . . B 17 DA H2'' . 30329 1 102 . 2 . 1 5 5 DA H3' H 1 5.26954 0.01 . . . . . . B 17 DA H3' . 30329 1 103 . 2 . 1 5 5 DA H4' H 1 4.64889 0.01 . . . . . . B 17 DA H4' . 30329 1 104 . 2 . 1 5 5 DA H8 H 1 8.39964 0.01 . . . . . . B 17 DA H8 . 30329 1 105 . 2 . 1 6 6 DA H1' H 1 6.3543 0.01 . . . . . . B 18 DA H1' . 30329 1 106 . 2 . 1 6 6 DA H2 H 1 7.82708 0.01 . . . . . . B 18 DA H2 . 30329 1 107 . 2 . 1 6 6 DA H2' H 1 2.77074 0.01 . . . . . . B 18 DA H2' . 30329 1 108 . 2 . 1 6 6 DA H2'' H 1 3.13377 0.01 . . . . . . B 18 DA H2'' . 30329 1 109 . 2 . 1 6 6 DA H3' H 1 5.20989 0.01 . . . . . . B 18 DA H3' . 30329 1 110 . 2 . 1 6 6 DA H4' H 1 4.66023 0.01 . . . . . . B 18 DA H4' . 30329 1 111 . 2 . 1 6 6 DA H8 H 1 8.33132 0.01 . . . . . . B 18 DA H8 . 30329 1 112 . 2 . 1 7 7 DT H1' H 1 6.10623 0.01 . . . . . . B 19 DT H1' . 30329 1 113 . 2 . 1 7 7 DT H2' H 1 2.18522 0.01 . . . . . . B 19 DT H2' . 30329 1 114 . 2 . 1 7 7 DT H2'' H 1 2.7756 0.01 . . . . . . B 19 DT H2'' . 30329 1 115 . 2 . 1 7 7 DT H3' H 1 5.01712 0.01 . . . . . . B 19 DT H3' . 30329 1 116 . 2 . 1 7 7 DT H6 H 1 7.32094 0.01 . . . . . . B 19 DT H6 . 30329 1 117 . 2 . 1 7 7 DT H71 H 1 1.47206 0.01 . . . . . . B 19 DT H71 . 30329 1 118 . 2 . 1 7 7 DT H72 H 1 1.47206 0.01 . . . . . . B 19 DT H72 . 30329 1 119 . 2 . 1 7 7 DT H73 H 1 1.47206 0.01 . . . . . . B 19 DT H73 . 30329 1 120 . 2 . 1 8 8 DT H1' H 1 6.31386 0.01 . . . . . . B 20 DT H1' . 30329 1 121 . 2 . 1 8 8 DT H2' H 1 2.38298 0.01 . . . . . . B 20 DT H2' . 30329 1 122 . 2 . 1 8 8 DT H2'' H 1 2.77096 0.01 . . . . . . B 20 DT H2'' . 30329 1 123 . 2 . 1 8 8 DT H3' H 1 5.10441 0.01 . . . . . . B 20 DT H3' . 30329 1 124 . 2 . 1 8 8 DT H6 H 1 7.57917 0.01 . . . . . . B 20 DT H6 . 30329 1 125 . 2 . 1 8 8 DT H71 H 1 1.71617 0.01 . . . . . . B 20 DT H71 . 30329 1 126 . 2 . 1 8 8 DT H72 H 1 1.71617 0.01 . . . . . . B 20 DT H72 . 30329 1 127 . 2 . 1 8 8 DT H73 H 1 1.71617 0.01 . . . . . . B 20 DT H73 . 30329 1 128 . 2 . 1 9 9 DC H1' H 1 5.88576 0.01 . . . . . . B 21 DC H1' . 30329 1 129 . 2 . 1 9 9 DC H2' H 1 2.22869 0.01 . . . . . . B 21 DC H2' . 30329 1 130 . 2 . 1 9 9 DC H2'' H 1 2.59814 0.01 . . . . . . B 21 DC H2'' . 30329 1 131 . 2 . 1 9 9 DC H3' H 1 5.07418 0.01 . . . . . . B 21 DC H3' . 30329 1 132 . 2 . 1 9 9 DC H5 H 1 5.84824 0.01 . . . . . . B 21 DC H5 . 30329 1 133 . 2 . 1 9 9 DC H6 H 1 7.66782 0.01 . . . . . . B 21 DC H6 . 30329 1 134 . 2 . 1 10 10 DG H1' H 1 6.0589 0.01 . . . . . . B 22 DG H1' . 30329 1 135 . 2 . 1 10 10 DG H3' H 1 5.18765 0.01 . . . . . . B 22 DG H3' . 30329 1 136 . 2 . 1 10 10 DG H4' H 1 4.57502 0.01 . . . . . . B 22 DG H4' . 30329 1 137 . 2 . 1 10 10 DG H8 H 1 8.11572 0.01 . . . . . . B 22 DG H8 . 30329 1 138 . 2 . 1 11 11 DC H1' H 1 5.97603 0.01 . . . . . . B 23 DC H1' . 30329 1 139 . 2 . 1 11 11 DC H2' H 1 2.08113 0.01 . . . . . . B 23 DC H2' . 30329 1 140 . 2 . 1 11 11 DC H2'' H 1 2.53554 0.01 . . . . . . B 23 DC H2'' . 30329 1 141 . 2 . 1 11 11 DC H3' H 1 5.00586 0.01 . . . . . . B 23 DC H3' . 30329 1 142 . 2 . 1 11 11 DC H5 H 1 5.60469 0.01 . . . . . . B 23 DC H5 . 30329 1 143 . 2 . 1 11 11 DC H6 H 1 7.50952 0.01 . . . . . . B 23 DC H6 . 30329 1 144 . 2 . 1 12 12 DG H1' H 1 6.35657 0.01 . . . . . . B 24 DG H1' . 30329 1 145 . 2 . 1 12 12 DG H2' H 1 2.56472 0.01 . . . . . . B 24 DG H2' . 30329 1 146 . 2 . 1 12 12 DG H2'' H 1 2.81228 0.01 . . . . . . B 24 DG H2'' . 30329 1 147 . 2 . 1 12 12 DG H3' H 1 4.87292 0.01 . . . . . . B 24 DG H3' . 30329 1 148 . 2 . 1 12 12 DG H8 H 1 8.14176 0.01 . . . . . . B 24 DG H8 . 30329 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 30329 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 2 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 30329 2 2 '2D 1H-1H NOESY' . . . 30329 2 3 '2D 1H-1H TOCSY' . . . 30329 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 DG H1 H 1 12.90278 0.01 . . . . . . A 2 DG H1 . 30329 2 2 . 1 . 1 3 3 5CM HN41 H 1 8.44102 0.01 . . . . . . A 3 5CM HN41 . 30329 2 3 . 1 . 1 3 3 5CM HN42 H 1 6.62388 0.01 . . . . . . A 3 5CM HN42 . 30329 2 4 . 1 . 1 4 4 8OG H1 H 1 12.83923 0.01 . . . . . . A 4 8OG H1 . 30329 2 5 . 1 . 1 5 5 DA H2 H 1 7.12197 0.01 . . . . . . A 5 DA H2 . 30329 2 6 . 1 . 1 6 6 DA H2 H 1 7.56858 0.01 . . . . . . A 6 DA H2 . 30329 2 7 . 1 . 1 7 7 DT H3 H 1 13.75934 0.01 . . . . . . A 7 DT H3 . 30329 2 8 . 1 . 1 8 8 DT H3 H 1 13.76982 0.01 . . . . . . A 8 DT H3 . 30329 2 9 . 1 . 1 9 9 DC H41 H 1 8.43001 0.01 . . . . . . A 9 DC H41 . 30329 2 10 . 1 . 1 9 9 DC H42 H 1 6.81573 0.01 . . . . . . A 9 DC H42 . 30329 2 11 . 1 . 1 10 10 DG H1 H 1 13.04775 0.01 . . . . . . A 10 DG H1 . 30329 2 12 . 1 . 1 11 11 DC H41 H 1 8.64876 0.01 . . . . . . A 11 DC H41 . 30329 2 13 . 1 . 1 11 11 DC H42 H 1 6.15196 0.01 . . . . . . A 11 DC H42 . 30329 2 14 . 2 . 1 2 2 DG H1 H 1 12.90278 0.01 . . . . . . B 14 DG H1 . 30329 2 15 . 2 . 1 3 3 5CM HN41 H 1 8.44102 0.01 . . . . . . B 15 5CM HN41 . 30329 2 16 . 2 . 1 3 3 5CM HN42 H 1 6.62388 0.01 . . . . . . B 15 5CM HN42 . 30329 2 17 . 2 . 1 4 4 8OG H1 H 1 12.83923 0.01 . . . . . . B 16 8OG H1 . 30329 2 18 . 2 . 1 5 5 DA H2 H 1 7.12197 0.01 . . . . . . B 17 DA H2 . 30329 2 19 . 2 . 1 6 6 DA H2 H 1 7.56858 0.01 . . . . . . B 18 DA H2 . 30329 2 20 . 2 . 1 7 7 DT H3 H 1 13.75934 0.01 . . . . . . B 19 DT H3 . 30329 2 21 . 2 . 1 8 8 DT H3 H 1 13.76982 0.01 . . . . . . B 20 DT H3 . 30329 2 22 . 2 . 1 9 9 DC H41 H 1 8.43001 0.01 . . . . . . B 21 DC H41 . 30329 2 23 . 2 . 1 9 9 DC H42 H 1 6.81573 0.01 . . . . . . B 21 DC H42 . 30329 2 24 . 2 . 1 10 10 DG H1 H 1 13.04775 0.01 . . . . . . B 22 DG H1 . 30329 2 25 . 2 . 1 11 11 DC H41 H 1 8.64876 0.01 . . . . . . B 23 DC H41 . 30329 2 26 . 2 . 1 11 11 DC H42 H 1 6.15196 0.01 . . . . . . B 23 DC H42 . 30329 2 stop_ save_